3-[3-(3-bromophenyl)-4-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[3-(3-bromophenyl)-4-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[3-(3-bromophenyl)-4-[(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[3-(3-bromophenyl)-4-[(4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[3-(3-bromophenyl)-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[3-(3-bromophenyl)-4-[(4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]pyrazol-1-yl]propionic acid Formula: C16H12BrN3O3S2 MolecularWeight: 438.31878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=NN(C=C2C=C3C(=O)NC(=S)S3)CCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=NN(C=C2C=C3C(=O)NC(=S)S3)CCC(=O)O

InChI

InChI=1S/C16H12BrN3O3S2/c17-11-3-1-2-9(6-11)14-10(7-12-15(23)18-16(24)25-12)8-20(19-14)5-4-13(21)22/h1-3,6-8H,4-5H2,(H,21,22)(H,18,23,24)